1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

C28H32N4O3S — CID 59527728

IUPAC1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)c2cnc(N3CCOCC3)s2)CC1)c1ccccc1
InChIInChI=1S/C28H32N4O3S/c1-21(22-8-4-2-5-9-22)30-26(34)28(23-10-6-3-7-11-23)12-14-31(15-13-28)25(33)24-20-29-27(36-24)32-16-18-35-19-17-32/h2-11,20-21H,12-19H2,1H3,(H,30,34)/t21-/m0/s1
InChIKeyLLMWUJJNJQXQPR-NRFANRHFSA-N
MW504.66 g/mol
LogP4.03
Rot. Bonds6

About 1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 59527728) has the molecular formula C28H32N4O3S and a molecular weight of 504.66 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
PubChem CID59527728
Molecular FormulaC28H32N4O3S
Molecular Weight504.66 g/mol
Exact Mass504.22
IUPAC Name1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)c2cnc(N3CCOCC3)s2)CC1)c1ccccc1
InChIInChI=1S/C28H32N4O3S/c1-21(22-8-4-2-5-9-22)30-26(34)28(23-10-6-3-7-11-23)12-14-31(15-13-28)25(33)24-20-29-27(36-24)32-16-18-35-19-17-32/h2-11,20-21H,12-19H2,1H3,(H,30,34)/t21-/m0/s1
InChIKeyLLMWUJJNJQXQPR-NRFANRHFSA-N
XLogP4.03
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.66
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 59527697
4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 59527744
4-phenyl-N-[(1S)-1-phenylethyl]-1-(4-piperidin-1-ylbenzoyl)piperidine-4-carboxamide
CID 59527796
2-morpholin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 166372591
1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 59527808
1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide
CID 55368369
1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 59527743
4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 92614110
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[4-(4-fluorophenyl)benzoyl]-4-phenylpiperidine-4-carboxamide
CID 59527736
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 100771023
4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 46977488
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-4-phenylpiperidine-4-carboxamide
CID 59527695

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide (CID 59527728) is 1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide is C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)c2cnc(N3CCOCC3)s2)CC1)c1ccccc1.
What is the InChIKey of 1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The InChIKey is LLMWUJJNJQXQPR-NRFANRHFSA-N. The full InChI is InChI=1S/C28H32N4O3S/c1-21(22-8-4-2-5-9-22)30-26(34)28(23-10-6-3-7-11-23)12-14-31(15-13-28)25(33)24-20-29-27(36-24)32-16-18-35-19-17-32/h2-11,20-21H,12-19H2,1H3,(H,30,34)/t21-/m0/s1.
What are the key properties of 1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 504.66 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 59527728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).